1-(2,2-dimethylhexyl)-4-methylimidazole

C12H22N2 — CID 146669304

IUPAC1-(2,2-dimethylhexyl)-4-methylimidazole
SMILESCCCCC(C)(C)Cn1cnc(C)c1
InChIInChI=1S/C12H22N2/c1-5-6-7-12(3,4)9-14-8-11(2)13-10-14/h8,10H,5-7,9H2,1-4H3
InChIKeyOOBQHBBOLNSVJL-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.41
Rot. Bonds5

About 1-(2,2-dimethylhexyl)-4-methylimidazole

1-(2,2-dimethylhexyl)-4-methylimidazole (PubChem CID 146669304) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 1-(2,2-dimethylhexyl)-4-methylimidazole.

Molecular Properties

Compound Name1-(2,2-dimethylhexyl)-4-methylimidazole
PubChem CID146669304
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name1-(2,2-dimethylhexyl)-4-methylimidazole
SMILESCCCCC(C)(C)Cn1cnc(C)c1
InChIInChI=1S/C12H22N2/c1-5-6-7-12(3,4)9-14-8-11(2)13-10-14/h8,10H,5-7,9H2,1-4H3
InChIKeyOOBQHBBOLNSVJL-UHFFFAOYSA-N
XLogP3.41
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylhexyl)-4-methylimidazole?
The IUPAC name of 1-(2,2-dimethylhexyl)-4-methylimidazole (CID 146669304) is 1-(2,2-dimethylhexyl)-4-methylimidazole.
What is the SMILES notation for 1-(2,2-dimethylhexyl)-4-methylimidazole?
The canonical SMILES for 1-(2,2-dimethylhexyl)-4-methylimidazole is CCCCC(C)(C)Cn1cnc(C)c1.
What is the InChIKey of 1-(2,2-dimethylhexyl)-4-methylimidazole?
The InChIKey is OOBQHBBOLNSVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-5-6-7-12(3,4)9-14-8-11(2)13-10-14/h8,10H,5-7,9H2,1-4H3.
What are the key properties of 1-(2,2-dimethylhexyl)-4-methylimidazole?
1-(2,2-dimethylhexyl)-4-methylimidazole has a molecular weight of 194.32 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylhexyl)-4-methylimidazole is sourced from PubChem (CID 146669304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).